(5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol

C13H10ClN3OS — CID 105119777

IUPAC(5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3OS/c14-12-7-6-11(19-12)13(18)10-8-15-17(16-10)9-4-2-1-3-5-9/h1-8,13,18H
InChIKeyHMEPHRNWAKXEHN-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.06
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol

(5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 105119777) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol
PubChem CID105119777
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name(5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3OS/c14-12-7-6-11(19-12)13(18)10-8-15-17(16-10)9-4-2-1-3-5-9/h1-8,13,18H
InChIKeyHMEPHRNWAKXEHN-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
2-(5-chlorothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494815
(5-chlorothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494968
(4-Bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829929
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372
(2-Phenyltriazol-4-yl)-thiophen-2-ylmethanol
CID 105079990
1-(2-Phenyltriazol-4-yl)-2-thiophen-2-ylethanol
CID 105087185
2-(5-Bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087327
2-(5-Chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087453
2-(5-Ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087725
1-(2-Phenyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105089525
2-(4-Bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105090617

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol (CID 105119777) is (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)n1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is HMEPHRNWAKXEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-12-7-6-11(19-12)13(18)10-8-15-17(16-10)9-4-2-1-3-5-9/h1-8,13,18H.
What are the key properties of (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol?
(5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol has a molecular weight of 291.76 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105119777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).